SCHEMBL4846101

SCHEMBL4846101

Cc1ccc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.54
FAAH O00519 3/20 0.46
ACHE P22303 3/20 0.46
HTR4 Q13639 2/20 0.46
BCHE P06276 1/20 0.43
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
GSK3B P49841 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4847407 0.90 CCR2 (0.59) CCR2HTR4KCNH2CACNA1I
SCHEMBL4847632 0.84 CCR2 (0.59) CCR2HTR4
SCHEMBL6206317 0.83 CCR2 (0.74) CCR2FAAHACHEHTR4BCHE
SCHEMBL4845881 0.83 CCR2 (0.63) CCR2HTR4
SCHEMBL6205584 0.83 CCR2 (0.63) CCR2FAAHACHEHTR4BCHE
SCHEMBL4840620 0.82 HTR4 (0.58) CCR2HTR4
SCHEMBL4850736 0.82 CCR2 (0.55) CCR2HTR4
SCHEMBL4845789 0.81 CCR2 (0.55) CCR2HTR4KCNH2
SCHEMBL6207614 0.81 CCR2 (0.59) CCR2HTR4KCNH2CACNA1I
SCHEMBL4843005 0.80 CCR2 (0.54) CCR2HTR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed